4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide

C21H19N3O — CID 29371800

IUPAC4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cnccc12
InChIInChI=1S/C21H19N3O/c25-21(24-20-9-3-5-15-13-22-12-11-18(15)20)10-4-6-16-14-23-19-8-2-1-7-17(16)19/h1-3,5,7-9,11-14,23H,4,6,10H2,(H,24,25)
InChIKeyFHDQYRVSGITQNK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.68
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide

4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide (PubChem CID 29371800) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
PubChem CID29371800
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cnccc12
InChIInChI=1S/C21H19N3O/c25-21(24-20-9-3-5-15-13-22-12-11-18(15)20)10-4-6-16-14-23-19-8-2-1-7-17(16)19/h1-3,5,7-9,11-14,23H,4,6,10H2,(H,24,25)
InChIKeyFHDQYRVSGITQNK-UHFFFAOYSA-N
XLogP4.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19405981
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
CID 114388989
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7659203
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide (CID 29371800) is 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cccc2cnccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide?
The InChIKey is FHDQYRVSGITQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(24-20-9-3-5-15-13-22-12-11-18(15)20)10-4-6-16-14-23-19-8-2-1-7-17(16)19/h1-3,5,7-9,11-14,23H,4,6,10H2,(H,24,25).
What are the key properties of 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide?
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide is sourced from PubChem (CID 29371800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).